(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, o875 [ doi:10.1107/S1600536809010551 ]

2'-Amino-1'-(4-chlorophenyl)-1,7',7'-trimethyl-2,5'-dioxo-5',6',7',8'-tetrahydrospiro[indoline-3,4'(1'H)-quinoline]-3'-carbonitrile dimethylformamide solvate dihydrate

J. Wang and S.-L. Zhu

Online 28 March 2009

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.066
wR factor = 0.155
Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.760     0.950
            Tmin(prime) and Tmax expected:      0.899     0.950
            RR(prime) =      0.845
            Please check that your absorption correction is appropriate.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C4     --  C20     ..       5.65 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C14    --  C15     ..       5.60 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C24     
PLAT061_ALERT_4_C Tmax/Tmin Range Test RR' too Large .............       0.84      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N5     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C27     

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         74     
            C5  -C4  -C20 -N3    163.00  6.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         75     
            C3  -C4  -C20 -N3    -15.00  6.00   1.555   1.555   1.555   1.555  
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   6 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check